(4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde

C24H22N2O — CID 89131488

IUPAC(4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde
SMILESC[C@]1(C=O)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H22N2O/c1-24(18-27)22(20-13-7-3-8-14-20)26(17-19-11-5-2-6-12-19)23(25-24)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/t22-,24+/m0/s1
InChIKeyWVSRROFPLGDULU-LADGPHEKSA-N
MW354.45 g/mol
LogP4.65
Rot. Bonds5

About (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde

(4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde (PubChem CID 89131488) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name(4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde
PubChem CID89131488
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name(4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde
SMILESC[C@]1(C=O)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H22N2O/c1-24(18-27)22(20-13-7-3-8-14-20)26(17-19-11-5-2-6-12-19)23(25-24)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/t22-,24+/m0/s1
InChIKeyWVSRROFPLGDULU-LADGPHEKSA-N
XLogP4.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde?
The IUPAC name of (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde (CID 89131488) is (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde.
What is the SMILES notation for (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde?
The canonical SMILES for (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde is C[C@]1(C=O)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde?
The InChIKey is WVSRROFPLGDULU-LADGPHEKSA-N. The full InChI is InChI=1S/C24H22N2O/c1-24(18-27)22(20-13-7-3-8-14-20)26(17-19-11-5-2-6-12-19)23(25-24)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/t22-,24+/m0/s1.
What are the key properties of (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde?
(4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde has a molecular weight of 354.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carbaldehyde is sourced from PubChem (CID 89131488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).